2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid

C12H19NO4 — CID 129414261

IUPAC2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
SMILESCC1(C)C[C@@H]1C(=O)N1CCOC[C@H]1CC(=O)O
InChIInChI=1S/C12H19NO4/c1-12(2)6-9(12)11(16)13-3-4-17-7-8(13)5-10(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyZHMSFJLUBFUZBD-RKDXNWHRSA-N
MW241.29 g/mol
LogP0.73
Rot. Bonds3

About 2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid

2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid (PubChem CID 129414261) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
PubChem CID129414261
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
SMILESCC1(C)C[C@@H]1C(=O)N1CCOC[C@H]1CC(=O)O
InChIInChI=1S/C12H19NO4/c1-12(2)6-9(12)11(16)13-3-4-17-7-8(13)5-10(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyZHMSFJLUBFUZBD-RKDXNWHRSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid with MolForge

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Related Compounds

(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107002178
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
CID 103837995
2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid
CID 113311756
2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 102961872
2-[4-(4-methylpent-1-yn-3-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 114202703
2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 107394034
2-[4-[(2-methylthiolan-2-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
CID 80742933
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid
CID 102893391
2-[4-[cyclobutylmethyl(ethyl)carbamoyl]morpholin-3-yl]acetic acid
CID 107400285
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 113457970
2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid
CID 113499766

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid (CID 129414261) is 2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid is CC1(C)C[C@@H]1C(=O)N1CCOC[C@H]1CC(=O)O.
What is the InChIKey of 2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid?
The InChIKey is ZHMSFJLUBFUZBD-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2)6-9(12)11(16)13-3-4-17-7-8(13)5-10(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9-/m1/s1.
What are the key properties of 2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid?
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 129414261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).